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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00626191

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.76
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.72
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.73
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.72
OHT4-HYDROXYTAMOXIFENA3ERT0.73
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.73
OHT4-HYDROXYTAMOXIFENA,B1VJB0.73
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.73
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.73
OHT4-HYDROXYTAMOXIFENA2GPU0.73
OHT4-HYDROXYTAMOXIFENA2P7Z0.73
OHT4-HYDROXYTAMOXIFENA,B2BJ40.73
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.73
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.79
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE
B166D0.74
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.75
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.75
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.7
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.75
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.72
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE
B1UUD0.72
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.76
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.73
P124-[AMINO(IMINO)METHYL]-1-[2-(3-
AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-
1-IUM
B1UUI0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.73
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.76
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.76
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.74
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.72
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.84
TRTFRAGMENT OF TRITON X-100A,E2I0U0.71
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.71
3MB3-METHOXYBENZAMIDEA3PAX0.7
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.74
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.74
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.74
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.74
TOLTOLRESTATA2PDL0.71
TOLTOLRESTATA2FZD0.71
TOLTOLRESTATA2FZB0.71
TOLTOLRESTATA1AH30.71
TOLTOLRESTATX1ZUA0.71
TOLTOLRESTATA1AE40.71
DPDA,B1QIW0.72
DPDA1QIV0.72
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.73